2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol

C17H18Cl2O2 — CID 65145651

IUPAC2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H18Cl2O2/c1-11(2)21-13-6-3-5-12(9-13)17(20)10-14-15(18)7-4-8-16(14)19/h3-9,11,17,20H,10H2,1-2H3
InChIKeyTVOHHYPWQMOICG-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.06
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol

2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 65145651) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol
PubChem CID65145651
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H18Cl2O2/c1-11(2)21-13-6-3-5-12(9-13)17(20)10-14-15(18)7-4-8-16(14)19/h3-9,11,17,20H,10H2,1-2H3
InChIKeyTVOHHYPWQMOICG-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 116660264
2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 82869084
[2-(2,6-dichlorophenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191602
2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 107312488
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795
3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 102927565
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
1-(2,6-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019039
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115984821

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol (CID 65145651) is 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc(C(O)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is TVOHHYPWQMOICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-11(2)21-13-6-3-5-12(9-13)17(20)10-14-15(18)7-4-8-16(14)19/h3-9,11,17,20H,10H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol?
2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 325.24 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 65145651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).